ALIGN 13
1 1:C1c 10:C1c
2 2:C6a 11:C6a
3 3:C1b 9:C1b
4 4:N1a 12:N1a
5 5:O6a 13:O6a
6 6:O6a 14:O6a
7 7:C8y 7:C8y
8 8:C8x 8:C8x
9 9:C8x 3:C8x #M1
10 10:C8x 5:C8x
11 11:C8x 1:C8y #R1
12 12:C8y 2:C8y #M1
13 13:O1a 6:O1a
- * 4:X #D1
ENTRY1
COMPOUND
C00082
ATOM 13
1 C1c C -1.0448 0.1552
2 C6a C -1.8345 0.4379
3 C1b C -0.4103 0.7034
4 N1a N -1.0448 -0.6690
5 O6a O -2.5103 -0.0448
6 O6a O -1.8517 1.1931
7 C8y C 0.3103 0.2828
8 C8x C 0.3103 -0.5517
9 C8x C 1.0345 0.7034
10 C8x C 1.0345 -0.9690
11 C8x C 1.7621 0.2828
12 C8y C 1.7621 -0.5517
13 O1a O 2.4793 -0.9655
BOND 13
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 2
6 3 7 1
7 7 8 1
8 7 9 2
9 8 10 2
10 9 11 1
11 10 12 1
12 12 13 1
13 11 12 2
ENTRY2
COMPOUND
C02515
ATOM 14
1 C8y C 26.1342 -16.7596
2 C8y C 26.1342 -18.1570
3 C8x C 24.9289 -16.0609
4 X I 27.3509 -16.0609
5 C8x C 24.9289 -18.8616
6 O1a O 27.3509 -18.8616
7 C8y C 23.7121 -16.7596
8 C8x C 23.7121 -18.1570
9 C1b C 22.4952 -16.0609
10 C1c C 21.2840 -16.7596
11 C6a C 20.0671 -16.0609
12 N1a N 21.2840 -18.1570
13 O6a O 18.8561 -16.7596
14 O6a O 20.0671 -14.6635
BOND 14
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 5 8 1
8 7 9 1
9 9 10 1
10 10 11 1
11 10 12 1 #Down
12 11 13 1
13 11 14 2
14 7 8 2
